SCHEMBL22072002

SCHEMBL22072002

CCCC(=O)OCC1CC(C)CCO1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NLRP3 Q96P20 1/20 0.45
LPAR1 Q92633 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
ENPP2 Q13822 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29045575 0.87 LMNA (0.62) LMNAPOLBALDH1A1NLRP3LPAR1
SCHEMBL25470257 0.82 LPAR1 (0.53) LPAR1LPAR3
SCHEMBL873613 0.80 LMNA (0.76) LMNAPOLBALDH1A1
SCHEMBL27672921 0.78 LMNA (0.73) LMNAPOLBALDH1A1
SCHEMBL78535 0.77 ALDH1A1 (0.52) LMNAPOLBALDH1A1NLRP3
SCHEMBL57588 0.77 ALDH1A1 (0.52) LMNAPOLBALDH1A1NLRP3
SCHEMBL78536 0.77 ALDH1A1 (0.52) LMNAPOLBALDH1A1NLRP3
SCHEMBL17581872 0.75 LMNA (0.46) LMNAPOLBALDH1A1NLRP3LPAR1
Methane SCHEMBL6359900 0.75 ALDH1A1 (0.50) LMNAPOLBALDH1A1NLRP3
Water SCHEMBL28213494 0.75 ALDH1A1 (0.50) LMNAPOLBALDH1A1NLRP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020118178-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-11 WO disclosed